4-(5,6-dimethyl-1-propyl-benzimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: 4-(5,6-dimethyl-1-propyl-benzimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-4-(5,6-dimethyl-1-propyl-benzimidazol-2-yl)butanoic acid CAS Name: 4-(5,6-dimethyl-1-propyl-2-benzimidazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 4-(5,6-dimethyl-1-propylbenzimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-4-(5,6-dimethyl-1-propyl-benzimidazol-2-yl)butyric acid Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C(=C2)C)C)N=C1CCC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C(=C2)C)C)N=C1CCC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O4/c1-7-10-24-17-12-14(3)13(2)11-16(17)22-18(24)9-8-15(19(25)26)23-20(27)28-21(4,5)6/h11-12,15H,7-10H2,1-6H3,(H,23,27)(H,25,26)